Geometry & MOs

Info

ID:	71031
PubChem CID:	48414200
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	380.14601
ΔH_f, kcal/mol:	-0.33
Dipole, Da:	3.7
IP(EA), eV:	-9.44(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)CNC(=O)C3=CC=CS3

DOS

IR

Vibrations